N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide

C21H18N4O4 — CID 9333080

IUPACN-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccccn1
InChIInChI=1S/C21H18N4O4/c26-19(24-25-21(28)18-8-4-5-13-22-18)14-23-20(27)15-9-11-17(12-10-15)29-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,27)(H,24,26)(H,25,28)
InChIKeyQIQJVQRGJYYWDI-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.06
Rot. Bonds6

About N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide

N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide (PubChem CID 9333080) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide
PubChem CID9333080
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC NameN-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccccn1
InChIInChI=1S/C21H18N4O4/c26-19(24-25-21(28)18-8-4-5-13-22-18)14-23-20(27)15-9-11-17(12-10-15)29-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,27)(H,24,26)(H,25,28)
InChIKeyQIQJVQRGJYYWDI-UHFFFAOYSA-N
XLogP2.06
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide (CID 9333080) is N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide is O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccccn1.
What is the InChIKey of N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide?
The InChIKey is QIQJVQRGJYYWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c26-19(24-25-21(28)18-8-4-5-13-22-18)14-23-20(27)15-9-11-17(12-10-15)29-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide?
N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide has a molecular weight of 390.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide is sourced from PubChem (CID 9333080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).